4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole

C8H16N2 — CID 121459931

IUPAC4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole
SMILESCC(C)(C)CC1=CNCN1
InChIInChI=1S/C8H16N2/c1-8(2,3)4-7-5-9-6-10-7/h5,9-10H,4,6H2,1-3H3
InChIKeyFUUCDHZYFFCYCF-UHFFFAOYSA-N
MW140.23 g/mol
LogP1.41
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole

4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole (PubChem CID 121459931) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole
PubChem CID121459931
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole
SMILESCC(C)(C)CC1=CNCN1
InChIInChI=1S/C8H16N2/c1-8(2,3)4-7-5-9-6-10-7/h5,9-10H,4,6H2,1-3H3
InChIKeyFUUCDHZYFFCYCF-UHFFFAOYSA-N
XLogP1.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole (CID 121459931) is 4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole is CC(C)(C)CC1=CNCN1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole?
The InChIKey is FUUCDHZYFFCYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2/c1-8(2,3)4-7-5-9-6-10-7/h5,9-10H,4,6H2,1-3H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole?
4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole has a molecular weight of 140.23 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 121459931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).